CHEMBL16931


SMILES CCCn1c(=O)c2nc(-c3ccc(OCC(=O)Nc4ccc(C(=O)O)cc4)cc3)[nH]c2n(CCC)c1=O
InChIKey TVQXEDLVTCLFMN-UHFFFAOYSA-N

Chemical properties

Hydrogen bond acceptors 8
Hydrogen bond donors 3
Rotatable bonds 10
Molecular weight (Da) 505.2

Drug properties

Molecular type Small molecule
Physiological/Surrogate Surrogate
Approved drug No

Database connections

Bioactivities

Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database
A2A AA2AR Rat Adenosine A pKi 6.66 6.66 6.66 ChEMBL
A1 AA1R Rat Adenosine A pKi 6.84 6.84 6.84 ChEMBL
A2B AA2BR Human Adenosine A pKi 7.79 7.79 7.79 ChEMBL
A2A AA2AR Human Adenosine A pKi 7.41 7.41 7.41 ChEMBL
A1 AA1R Human Adenosine A pKi 6.79 6.79 6.79 ChEMBL
Receptor Activity Source
GTP Uniprot Species Family Class Type Min Avg Max Database